ArticleJournal of medicinal chemistry2012
Novel aromatase inhibitors by structure-guided design.
Article in Journal of medicinal chemistry, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 66 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
66 citing papers in PubMed, 214 citations in OpenAlex.
- Applicability of NAMs to support a read-across based hazard assessment workflow for systemic toxicity: a conazole case study.Archives of toxicology · 2026Article
- CDK4/6 Inhibitors for Breast Cancer Therapy-A Review of Clinical Trials, Structural and Computational Approaches.Pharmaceuticals (Basel, Switzerland) · 2026Review
- Binding Site Vectors Enable Mapping of Cytochrome P450 Functional Landscapes.Journal of chemical information and modeling · 2026Article
- Estrone-α-2-Deoxy-Glucoside as a Targeted Therapy for Triple-Negative Breast Cancer: Aromatase Inhibition and Cytotoxicity.Chemical biology & drug design · 2026Article
- Pharmacophoric Investigation of a Natural Product-like Class of Aromatase Inhibitors Using Molecular Modeling.ACS omega · 2026Article
- Integrated multi-omics elucidates the dual anti-inflammatory and neuroendocrine mechanisms of novel TCM plasters against primary dysmenorrhea.Frontiers in pain research (Lausanne, Switzerland) · 2026Article
- An integrated computational, in vitro and metabolomics approach to the discovery of novel aromatase inhibitors with anti-breast cancer activities.Scientific reports · 2025Article
- Laser-Induced Dimeric Photoproducts of Chlorpromazine: LC-MS Identification and Molecular Docking Evidence of Enhanced Anticancer Potential.International journal of molecular sciences · 2025Article
- Design, synthesis,RSC advances · 2025Article
- Zapotin mitigates breast cancer progression by targeting PKCε mediated glycolytic pathway regulation.BMC cancer · 2025Article
- Integrated Virtual Screening Approach Identifies New CYP19A1 Inhibitors.Journal of chemical information and modeling · 2025Article
- Review
- Pharmacophore-based virtual screening, molecular docking, and molecular dynamics investigation for the identification of novel, marine aromatase inhibitors.BMC chemistry · 2024Article
- Promoting Apoptosis in MCF-7 Cells via ROS Generation by Quinolino-triazoles Derived from One-Pot Telescopic Synthesis.ACS medicinal chemistry letters · 2024Article
- Deciphering the multi-scale mechanism of herbal phytoconstituents in targeting breast cancer: a computational pharmacological perspective.Scientific reports · 2024Article
- Molecular Targets of Minor Cannabinoids in Breast Cancer: In Silico and In Vitro Studies.Pharmaceuticals (Basel, Switzerland) · 2024Article
- Unveiling the Bioactive Efficacy ofPharmaceuticals (Basel, Switzerland) · 2024Article
- Steroidogenic cytochrome P450 enzymes as drug target.Toxicological research · 2024Review
- Recombinant Technologies Facilitate Drug Metabolism, Pharmacokinetics, and General Biomedical Research.Drug metabolism and disposition: the biological fate of chemicals · 2023Review
- Virtual Screening for Identification of Dual Inhibitors against CDK4/6 and Aromatase Enzyme.Molecules (Basel, Switzerland) · 2023Article
6 more citing papers are in PubMed but not listed here.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
11 authors at 3 institutions in 1 country.
Funding
Abstract
Human cytochrome P450 aromatase catalyzes with high specificity the synthesis of estrogens from androgens. Aromatase inhibitors (AIs) such as exemestane, 6-methylideneandrosta-1,4-diene-3,17-dione, are preeminent drugs for the treatment of estrogen-dependent breast cancer. The crystal structure of human placental aromatase has shown an androgen-specific active site. By utilization of the structural data, novel C6-substituted androsta-1,4-diene-3,17-dione inhibitors have been designed. Several of the C6-substituted 2-alkynyloxy compounds inhibit purified placental aromatase with IC(50) values in the nanomolar range. Antiproliferation studies in a MCF-7 breast cancer cell line demonstrate that some of these compounds have EC(50) values better than 1 nM, exceeding that for exemestane. X-ray structures of aromatase complexes of two potent compounds reveal that, per their design, the novel side groups protrude into the opening to the access channel unoccupied in the enzyme-substrate/exemestane complexes. The observed structure-activity relationship is borne out by the X-ray data. Structure-guided design permits utilization of the aromatase-specific interactions for the development of next generation AIs.
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What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.